difluoro(methoxy)methane

• ChemBase ID: 99491
• Molecular Formular: C2H4F2O
• Molecular Mass: 82.0493664
• Monoisotopic Mass: 82.02302119
• SMILES: O(C)C(F)F
• Canonical SMILES: COC(F)F
• InChI: InChI=1S/C2H4F2O/c1-5-2(3)4/h2H,1H3
• InChIKey: CGZAMBNIGLUBRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoro(methoxy)methane
• IUPAC Traditional name: difluoro(methoxy)methane
• Synonyms: 1,1-Difluorodimethylether

Database IDs

• CAS Number: 359-15-9
• MDL Number: MFCD07784223
• PubChem SID: 162085756
• PubChem CID: 10975404

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0513077
• LogD (pH = 7.4): 1.0513077
• Log P: 1.0513077
• Molar Refractivity: 13.0214 cm^3
• Polarizability: 4.9837446 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -4°C/740mm

Safety Information

• Storage Warning: Irritant/Flammable